SCHEMBL28624933

SCHEMBL28624933

C=C[S+]([O-])c1cccc2cc3cc4ccccc4cc3cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 3/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
PKM P14618 2/20 0.34
MAPK1 P28482 2/20 0.34
CYP1A2 P05177 2/20 0.34
MITF O75030 1/20 0.34
CYP2C9 P11712 1/20 0.34
RAB9A P51151 1/20 0.34
CCR6 P51684 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 3/20 0.32
HIF1A Q16665 2/20 0.32
CYP1B1 Q16678 1/20 0.32
CYP3A4 P08684 3/20 0.32
ALOX15 P16050 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3687125 0.77 ALDH1A1 (0.41) ALDH1A1KDM4EGAAMEN1MAPT
Benz(B)Anthracene SCHEMBL28624934 0.73 ALDH1A1 (0.39) ALDH1A1KDM4EGAAMEN1MAPT
SCHEMBL1167375 0.68 ALDH1A1 (0.53) ALDH1A1KDM4EGAAMEN1MAPT
SCHEMBL2701544 0.68 ALDH1A1 (0.53) ALDH1A1KDM4EGAAMEN1MAPT
Naphthalene SCHEMBL17505341 0.68 ALDH1A1 (0.65) ALDH1A1KDM4EGAACYP1A2HSD17B10
SCHEMBL5835264 0.67 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ACYP1A2TDP1
SCHEMBL31005147 0.67 ALDH1A1 (0.39) ALDH1A1KDM4EGAAMEN1MAPT
SCHEMBL3200967 0.67 ALDH1A1 (0.39) ALDH1A1KDM4EGAAMEN1MAPT
SCHEMBL13249031 0.67 ALDH1A1 (0.47) ALDH1A1KDM4EGAAMEN1MAPT
SCHEMBL7449888 0.66 TSHR (0.38) ALDH1A1HSD17B10CYP3A4TDP1ACHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113308129-A Preparation and performance of homogeneous polycrystalline symmetrical bis (tetraphenylethylene) fluorescent dye 四川大学 2021-08-27 CN claimed
CN-113308129-B Homogeneous polycrystalline symmetrical bis (tetraphenylethylene) fluorescent compound preparation method and crystal thereof 四川大学 2022-01-14 CN disclosed
CN-113308129-B Homogeneous polycrystalline symmetrical bis (tetraphenylethylene) fluorescent compound preparation method and crystal thereof 四川大学 2022-01-14 CN disclosed
CN-113308129-A Preparation and performance of homogeneous polycrystalline symmetrical bis (tetraphenylethylene) fluorescent dye 四川大学 2021-08-27 CN disclosed
CN-113308129-A Preparation and performance of homogeneous polycrystalline symmetrical bis (tetraphenylethylene) fluorescent dye 四川大学 2021-08-27 CN disclosed